SCHEMBL2876128

SCHEMBL2876128

CC(C)COC(=O)N1CCC(CNc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.61
GRIN2B Q13224 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
GPR183 P32249 1/20 0.42
VCP P55072 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4566452 0.88 GPR119 (0.61) GPR119GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL3841211 0.86 GPR119 (0.61) GPR119
SCHEMBL870008 0.86 GPR119 (0.59) GPR119
SCHEMBL3983111 0.85 VCP (0.47) GPR119GPR183VCP
SCHEMBL3983386 0.84 GPR119 (0.56) GPR119GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL2881232 0.84 GPR119 (0.61) GPR119GPR183
SCHEMBL2881607 0.82 GPR119 (0.58) GPR119GPR183
Trifluoroacetic Acid SCHEMBL387544 0.81 GPR119 (0.55) GPR119
SCHEMBL4053229 0.80 GPR119 (0.61) GPR119GPR183
SCHEMBL2879360 0.79 GPR119 (0.56) GPR119GPR183

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010512334-A 2010-04-22 JP claimed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP claimed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO claimed